N'-[(3E)-5-chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
Chemical Structure Depiction of
N'-[(3E)-5-chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
N'-[(3E)-5-chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
Compound characteristics
| Compound ID: | K067-0015 |
| Compound Name: | N'-[(3E)-5-chloro-7-methyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]tetrahydro-3'aH-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide |
| Molecular Weight: | 546.02 |
| Molecular Formula: | C27 H32 Cl N3 O7 |
| Smiles: | Cc1cc(cc2\C(C(Nc12)=O)=N/NC(C1C2C(C3C(O1)OC1(CCCCC1)O3)OC1(CCCCC1)O2)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2318 |
| logD: | 4.2119 |
| logSw: | -4.4395 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.728 |
| InChI Key: | YPQNUSPGESXQIK-UHFFFAOYSA-N |